Geometry & MOs

Info

ID:	256753
PubChem CID:	103141129
Reduced:	N6C11H18 (1)
Stoich.:	A6B11C18 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	88.2
Dipole, Da:	4.98
IP(EA), eV:	-9.01(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-propylisoquinolin-8-amine

Drug info:

PubChemData

Smile

CCC1=NN(C=C1C(C2=NN(C=C2)C)NN)C

DOS

IR

Vibrations